N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide

C18H21NO3 — CID 731174

IUPACN-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCOc1cccc(NC(=O)COc2c(C)ccc(C)c2C)c1
InChIInChI=1S/C18H21NO3/c1-12-8-9-13(2)18(14(12)3)22-11-17(20)19-15-6-5-7-16(10-15)21-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyHDMLAEWUDBANHD-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.64
Rot. Bonds5

About N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide

N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 731174) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID731174
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCOc1cccc(NC(=O)COc2c(C)ccc(C)c2C)c1
InChIInChI=1S/C18H21NO3/c1-12-8-9-13(2)18(14(12)3)22-11-17(20)19-15-6-5-7-16(10-15)21-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyHDMLAEWUDBANHD-UHFFFAOYSA-N
XLogP3.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 43345548
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
2-(2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 835384
2-(2-acetylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7859310
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-(3-amino-4-methylphenyl)-2-(3-methoxyphenoxy)acetamide
CID 28867332
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide (CID 731174) is N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide is COc1cccc(NC(=O)COc2c(C)ccc(C)c2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is HDMLAEWUDBANHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-8-9-13(2)18(14(12)3)22-11-17(20)19-15-6-5-7-16(10-15)21-4/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide?
N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 731174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).